2-tert-butyl-6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine

C13H18ClN5 — CID 106193343

IUPAC2-tert-butyl-6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCc1[nH]ncc1CNc1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C13H18ClN5/c1-8-9(7-16-19-8)6-15-11-5-10(14)17-12(18-11)13(2,3)4/h5,7H,6H2,1-4H3,(H,16,19)(H,15,17,18)
InChIKeyAMOZXIYATMOUSF-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.07
Rot. Bonds3

About 2-tert-butyl-6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine

2-tert-butyl-6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 106193343) has the molecular formula C13H18ClN5 and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID106193343
Molecular FormulaC13H18ClN5
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC Name2-tert-butyl-6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCc1[nH]ncc1CNc1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C13H18ClN5/c1-8-9(7-16-19-8)6-15-11-5-10(14)17-12(18-11)13(2,3)4/h5,7H,6H2,1-4H3,(H,16,19)(H,15,17,18)
InChIKeyAMOZXIYATMOUSF-UHFFFAOYSA-N
XLogP3.07
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine with MolForge

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Related Compounds

6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-methylsulfanylpyrimidin-4-amine
CID 114156690
N,2-ditert-butyl-6-chloropyrimidin-4-amine
CID 80948203
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine
CID 62784735
2-tert-butyl-6-chloro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80953905
2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 80948792
2-tert-butyl-6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 80950966
4-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 106842915
2-tert-butyl-6-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 114168057
3-chloro-4-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 54864056
2-chloro-4,6-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 83082033
1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrazol-3-amine
CID 60808842
5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 130747546

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine (CID 106193343) is 2-tert-butyl-6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine is Cc1[nH]ncc1CNc1cc(Cl)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is AMOZXIYATMOUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5/c1-8-9(7-16-19-8)6-15-11-5-10(14)17-12(18-11)13(2,3)4/h5,7H,6H2,1-4H3,(H,16,19)(H,15,17,18).
What are the key properties of 2-tert-butyl-6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine?
2-tert-butyl-6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 279.77 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 106193343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).